SCHEMBL3885294

SCHEMBL3885294

NC(=O)Nc1cc(N)c2c(oc3ccccc32)c1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
NQO1 P15559 1/20 0.41
KDM4E B2RXH2 5/20 0.40
ALDH1A1 P00352 6/20 0.40
GLA P06280 1/20 0.40
GAA P10253 2/20 0.40
NPC1 O15118 4/20 0.39
MAPT P10636 3/20 0.39
RAB9A P51151 3/20 0.39
USP2 O75604 2/20 0.39
HPGD P15428 1/20 0.39
NFKB1 P19838 1/20 0.39
HTT P42858 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
KMT2A Q03164 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
MEN1 O00255 1/20 0.38
TBK1 Q9UHD2 1/20 0.37
LMNA P02545 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3887278 0.89 POLB (0.41) POLBNQO1KDM4EALDH1A1GLA
SCHEMBL3873224 0.73 NQO1 (0.43) NQO1KDM4EALDH1A1GAANPC1
SCHEMBL29757921 0.73 GAA (0.54) KDM4EALDH1A1GLAGAANPC1
SCHEMBL3885122 0.73 NQO1 (0.43) NQO1KDM4EALDH1A1GAANPC1
SCHEMBL28762586 0.73 ALOX5 (0.36) POLBNQO1KDM4EALDH1A1GLA
SCHEMBL3875122 0.72 NQO1 (0.44) NQO1KDM4EALDH1A1GLAGAA
SCHEMBL3880375 0.71 NQO1 (0.41) NQO1KDM4EALDH1A1GLAGAA
SCHEMBL27673157 0.70 ALOX5 (0.36) POLBKDM4EALDH1A1GLAGAA
SCHEMBL3881357 0.70 MAOA (0.47) NQO1KDM4EALDH1A1NPC1MAPT
SCHEMBL3876939 0.69 IKBKB (0.48) KDM4EALDH1A1GLAGAAMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof GLENN ROBERT W JR 2008-05-01 US claimed
US-20050217038-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-10-06 US claimed
US-7491245-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2009-02-17 US disclosed
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof GLENN ROBERT W JR 2008-05-01 US disclosed
US-7331997-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-02-19 US disclosed
EP-1735059-A2 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF The Procter and Gamble Company (US) 2006-12-27 EP disclosed
WO-2005099656-A2 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2005-10-27 WO disclosed
US-20050217038-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-10-06 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050217038-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, CKMT1A; CKMT1B, TUBB6 POLB 796/4885NQO1 222/4885KDM4E 1549/4885
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, TUBB6 POLB 796/4885NQO1 222/4885KDM4E 1549/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.